3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine

C16H29N3O2 — CID 116781210

IUPAC3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)c1nc(C2(OC)CCCCC2)no1
InChIInChI=1S/C16H29N3O2/c1-5-11-17-13(3)12(2)14-18-15(19-21-14)16(20-4)9-7-6-8-10-16/h12-13,17H,5-11H2,1-4H3
InChIKeyUXKDHBCENRJIKW-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.37
Rot. Bonds7

About 3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine

3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine (PubChem CID 116781210) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
PubChem CID116781210
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)c1nc(C2(OC)CCCCC2)no1
InChIInChI=1S/C16H29N3O2/c1-5-11-17-13(3)12(2)14-18-15(19-21-14)16(20-4)9-7-6-8-10-16/h12-13,17H,5-11H2,1-4H3
InChIKeyUXKDHBCENRJIKW-UHFFFAOYSA-N
XLogP3.37
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 116781227
3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 116781197
N-ethyl-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 104612040
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 104612022
1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 104612019
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116741786
5-(1-chloroethyl)-3-(1-methoxycyclobutyl)-1,2,4-oxadiazole
CID 116701136
3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 116780307
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 116733060
2-methoxy-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109357
2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116701374
ethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 116704706

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
The IUPAC name of 3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine (CID 116781210) is 3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine.
What is the SMILES notation for 3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
The canonical SMILES for 3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine is CCCNC(C)C(C)c1nc(C2(OC)CCCCC2)no1.
What is the InChIKey of 3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
The InChIKey is UXKDHBCENRJIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-5-11-17-13(3)12(2)14-18-15(19-21-14)16(20-4)9-7-6-8-10-16/h12-13,17H,5-11H2,1-4H3.
What are the key properties of 3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine has a molecular weight of 295.43 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine is sourced from PubChem (CID 116781210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).